ethyl 4-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate
ethyl 4-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | V020-2618 |
| Compound Name: | ethyl 4-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C29 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6636 |
| logD: | 4.6532 |
| logSw: | -4.2004 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.7 |
| InChI Key: | IQDGLLJGTQELDC-UHFFFAOYSA-N |